2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol

C13H12O3S — CID 91879746

IUPAC2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
SMILESCOc1ccc(Sc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C13H12O3S/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,14-15H,1H3
InChIKeyOWDMOFCGFHKNLL-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol

2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol (PubChem CID 91879746) has the molecular formula C13H12O3S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
PubChem CID91879746
Molecular FormulaC13H12O3S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
SMILESCOc1ccc(Sc2ccc(O)cc2)c(O)c1
InChIInChI=1S/C13H12O3S/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,14-15H,1H3
InChIKeyOWDMOFCGFHKNLL-UHFFFAOYSA-N
XLogP3.26
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-iodo-2-methoxyphenyl)sulfanylphenol
CID 91879560
[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium
CID 166590302
3-(4-methoxyphenyl)sulfanyl-1H-pyrrole-2,5-diol
CID 91408828
methane;4-methoxyphenol
CID 159494332
4-(4-methoxy-2-methylphenyl)sulfanylbenzoic acid
CID 91878618
benzene-1,2-diol;4-methoxyphenol
CID 70292826
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
1-(4-chlorophenyl)sulfanyl-4-methoxy-2-nitrobenzene
CID 91875623
methyl 4-(2-chloro-4-methoxyphenyl)sulfanylbenzoate
CID 91879021
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol?
The IUPAC name of 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol (CID 91879746) is 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol.
What is the SMILES notation for 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol?
The canonical SMILES for 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol is COc1ccc(Sc2ccc(O)cc2)c(O)c1.
What is the InChIKey of 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol?
The InChIKey is OWDMOFCGFHKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S/c1-16-10-4-7-13(12(15)8-10)17-11-5-2-9(14)3-6-11/h2-8,14-15H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol?
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol has a molecular weight of 248.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol is sourced from PubChem (CID 91879746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).